CHEBI:16639 - 4-methoxybenzoate

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ChEBI Name 4-methoxybenzoate
ChEBI ID CHEBI:16639
Definition A methoxybenzoate that is the conjugate base of 4-methoxybenzoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:12019, CHEBI:20437
Supplier Information
Download Molfile XML SDF
Formula C8H7O3
Net Charge -1
Average Mass 151.13938
Monoisotopic Mass 151.04007
InChI InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)/p-1
InChIKey ZEYHEAKUIGZSGI-UHFFFAOYSA-M
SMILES COc1ccc(cc1)C([O-])=O
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing 4-methoxybenzoate (CHEBI:16639) has functional parent benzoate (CHEBI:16150)
4-methoxybenzoate (CHEBI:16639) has role plant metabolite (CHEBI:76924)
4-methoxybenzoate (CHEBI:16639) is a methoxybenzoate (CHEBI:25236)
4-methoxybenzoate (CHEBI:16639) is conjugate base of 4-methoxybenzoic acid (CHEBI:40813)
Incoming 3-amino-2-hydroxy-4-methoxybenzoate (CHEBI:180662) is a 4-methoxybenzoate (CHEBI:16639)
4-methoxybenzoic acid (CHEBI:40813) is conjugate acid of 4-methoxybenzoate (CHEBI:16639)
IUPAC Name
4-methoxybenzoate
Synonyms Sources
4-methoxybenzoate UniProt
p-methoxybenzoate ChEBI
Manual Xrefs Databases
C02519 KEGG COMPOUND
c0370 UM-BBD
View more database links
Registry Numbers Types Sources
327894 Gmelin Registry Number Gmelin
3905126 Reaxys Registry Number Reaxys
Last Modified
27 April 2015